SCHEMBL686969

SCHEMBL686969

c1ccc2sc(-c3cn[nH]c3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 4/20 1.00
RAB9A P51151 8/20 0.56
NPC1 O15118 6/20 0.56
KDM4E B2RXH2 5/20 0.56
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
GLA P06280 2/20 0.54
GAA P10253 2/20 0.54
APP P05067 2/20 0.54
LMNA P02545 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PKM P14618 1/20 0.54
NAMPT P43490 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2750324 0.80 ILK (0.65) ILKRAB9ANPC1KDM4EMAPT
SCHEMBL29474819 0.78 RAB9A (0.81) ILKRAB9ANPC1KDM4EMAPT
SCHEMBL366824 0.78 RAB9A (0.81) ILKRAB9ANPC1KDM4EMAPT
SCHEMBL24295138 0.76 RAB9A (0.79) ILKRAB9ANPC1KDM4EMAPT
SCHEMBL13053014 0.76 RAB9A (0.69) ILKRAB9ANPC1KDM4EMAPT
2-Phenylbenzo[D]Thiazole SCHEMBL94005 0.76 RAB9A (0.75) ILKRAB9ANPC1KDM4EMAPT
2-Phenylbenzo[D]Thiazole SCHEMBL30988131 0.76 RAB9A (0.75) ILKRAB9ANPC1KDM4EMAPT
SCHEMBL827403 0.75 RAB9A (0.67) ILKRAB9ANPC1KDM4EMAPT
SCHEMBL15239245 0.75 ILK (0.62) ILKRAB9ANPC1KDM4EMAPT
SCHEMBL14939305 0.74 RAB9A (0.67) ILKRAB9ANPC1KDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors QLT INC. (CA) 2006-11-02 US claimed
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 WO claimed
US-9434720-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DIRMIRA (CANADA), INC. (US) 2016-09-06 US disclosed
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2014-11-27 US disclosed
US-8754233-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2014-06-17 US disclosed
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2013-09-12 US disclosed
US-8410272-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2013-04-02 US disclosed
EP-1542997-B1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA CANADA INC (CA) 2012-02-29 EP disclosed
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Valocor Therapeutics, Inc. (CA) 2011-07-21 US disclosed
US-7847101-B2 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors Valocor Therapeutics, Inc. (CA) 2010-12-07 US disclosed
US-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors QLT INC. (CA) 2006-11-02 US disclosed
EP-1542997-A2 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS QLT, Inc. (CA) 2005-06-22 EP disclosed
WO-2004011460-A2 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS QLT, INC. (CA) 2004-02-05 WO disclosed
WO-2003051906-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060247210-A1 such as (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine, used in the treatment of disorders associated with hyperproliferation and tissue remodelling or repair, inflammation, cell migration and invasion, and renal diseases, or as protein kinase inhibitors TST, PTK2, PTK2B ILK 2153/4885RAB9A 4041/4885NPC1 4326/4885
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 ILK 1603/4885RAB9A 2638/4885NPC1 3923/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH ILK 4705/4885RAB9A 3096/4885NPC1 404/4885
US-20140350009-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH ILK 4705/4885RAB9A 3096/4885NPC1 404/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.